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P-489932395

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Name File
SDF P-489932395.sdf
SMILES P-489932395.smiles
Standard InChI P-489932395.inchi
InChIKey P-489932395.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-489932395 Azepine Azepine Building Blocks by synthesis 95 by synthesis June 23, 2017
Property Value
Components 1
Mass 104.104
logP -0.1581
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 2
PSA 57.53
RO5 violations 0
RO3 violations 0
Refractivity 24.2756
Atoms 15
Rings 0
Heavy atoms 7
Hydrogen atoms 8
Heteroatoms 3
N/O atoms 3
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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